Charge: 0
Inchi:1S/C20H12/c1-2-8-16-15(7-1)17-9-3-5-13-11-12-14-6-4-10-18(16)20(14)19(13)17/h1-12H
Electronic States
Energy
(eV)
-768.42261
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01712 b
(cm-1)
0.01286 c
(cm-1)
0.00734
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.03249
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
-1.17700
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00016
0.00057
2
0.00000
0.00016
-0.00057
3
0.00000
-0.00046
-0.00015
4
0.00000
-0.00046
0.00015
5
0.00000
0.00163
-0.00050
6
0.00000
0.00163
0.00050
7
0.00000
0.00026
-0.00040
8
0.00000
0.00026
0.00040
9
0.00000
-0.00174
-0.00299
10
0.00000
-0.00174
0.00299
11
0.00000
0.01197
-0.01577
12
0.00000
0.01197
0.01577
13
0.00000
-0.01652
-0.03239
14
0.00000
-0.01652
0.03239
15
0.00000
-0.04131
0.00167
16
0.00000
-0.04131
-0.00167
17
0.00000
-0.00795
-0.00019
18
0.00000
-0.00796
0.00019
19
0.00000
-0.00292
0.00601
20
0.00000
-0.00292
-0.00601
21
0.00000
0.46663
-0.00033
22
0.00000
0.46664
0.00033
23
0.00000
-0.12855
0.20252
24
0.00000
-0.12856
-0.20253
25
0.00000
0.19594
0.35409
26
0.00000
0.19594
-0.35410
27
0.00000
0.01825
0.03411
28
0.00000
0.01824
-0.03411
29
0.00000
0.08755
-0.00106
30
0.00000
0.08756
0.00106
31
0.00000
0.03737
-0.06529
32
0.00000
0.03737
0.06528